****************************************************************************** **Program REFINE Version 3.0** Kurt Bartelmehs and Bob Downs, 1998 ****************************************************************************** Zinc__R070497-9__Powder__Xray_Data_XY_Processed__9341[1] Symmetry constraint is: HEXAGONAL Wavelength #1 = 0.710710 Wavelength #2 = 0.709270 Wavelength #3 = 0.713590 Refinement after correcting for machine error MACHINE ERROR: -0.033 OBSERVED CALCULATED DIFFERENCE 2theta d h k l Wave# 2theta d 2theta d 16.4999 2.476447 0 0 2 2 16.4922 2.477599 -0.0077 -0.001151 17.6835 2.311565 1 0 0 2 17.6770 2.312411 -0.0065 -0.000846 19.5283 2.094646 1 0 1 2 19.5206 2.095470 -0.0077 -0.000824 24.2555 1.690292 1 0 2 2 24.2524 1.690505 -0.0031 -0.000213 33.3100 1.238559 0 0 4 2 33.3034 1.238799 -0.0066 -0.000241 35.1615 1.175177 1 1 2 2 35.1578 1.175298 -0.0037 -0.000121 36.7553 1.125818 2 0 1 2 36.7505 1.125961 -0.0048 -0.000143 39.5938 1.047937 2 0 2 2 39.6017 1.047735 0.0079 0.000202 43.9927 0.947520 2 0 3 2 44.0082 0.947202 0.0155 0.000318 48.6886 0.860862 2 1 1 2 48.6970 0.860723 0.0084 0.000140 57.6552 0.735879 3 0 2 2 57.6442 0.736008 -0.0110 -0.000128 rmse = 0.00040761602 A =2.6701(2) B =2.6701(2) C =4.955(1) Alpha =90 Beta =90 Gamma =120 Volume = 30.596(8)